Vitas-M small molecule compound
2-{2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}-N,N-dimethylethanamine
Catalog ID
STK609839
SMILES CN(CCn1c2ncn3c(c2c(c1C)C)nc(n3)CSc1nc2c(o1)cccc2)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H23N7OS MW 421.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7OS/c1-13-14(2)27(10-9-26(3)4)19-18(13)20-24-17(25-28(20)12-22-19)11-30-21-23-15-7-5-6-8-16(15)29-21/h5-8,12H,9-11H2,1-4H3InChIKey
YAPYJJNNVVFVII-UHFFFAOYSA-NSynonyms
903863-84-32(2((13benzoxazol2ylsulfanyl)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdimethylethanamine
2(2((benzo(d)oxazol2ylthio)methyl)89dimethyl7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin7yl)NNdimethylethanamine
903863843
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5O4)CCN(C)C)C
InChI=1SC21H23N7OSc11314(2)27(10926(3)4)1918(13)202417(2528(20)122219)1130212315756816(15)2921h5812H911H214H3
MFCD08292323
ZINC000006760630
ZINC6760630
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